ethyl 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C12H11ClN2O3S MolecularWeight: 298.74534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)C=CC(=C2)Cl

InChI

InChI=1S/C12H11ClN2O3S/c1-2-18-10(16)6-19-12-14-9-4-3-7(13)5-8(9)11(17)15-12/h3-5H,2,6H2,1H3,(H,14,15,17)